6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine

C40H51ClF4N14S2 — CID 161288578

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 161288578) has the molecular formula C40H51ClF4N14S2 and a molecular weight of 903.52 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine
• PubChem CID: 161288578
• Molecular Formula: C40H51ClF4N14S2
• Molecular Weight: 903.52 g/mol
• Exact Mass: 902.35
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine
• SMILES: CC(N)c1nccs1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC(C)c3nccs3)n2)n1
• InChI: InChI=1S/C20H25F2N7S.C15H18ClF2N5.C5H8N2S/c1-12-10-13(2)29(28-12)19-26-16(24-14(3)18-23-8-9-30-18)11-17(27-19)25-15-4-6-20(21,22)7-5-15;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-4(6)5-7-2-3-8-5/h8-11,14-15H,4-7H2,1-3H3,(H2,24,25,26,27);7-8,11H,3-6H2,1-2H3,(H,19,20,21);2-4H,6H2,1H3
• InChIKey: VGAXMKRPCKXCTC-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 175.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.52
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine (CID 161288578) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine is CC(N)c1nccs1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC(C)c3nccs3)n2)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine?

The InChIKey is VGAXMKRPCKXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7S.C15H18ClF2N5.C5H8N2S/c1-12-10-13(2)29(28-12)19-26-16(24-14(3)18-23-8-9-30-18)11-17(27-19)25-15-4-6-20(21,22)7-5-15;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-4(6)5-7-2-3-8-5/h8-11,14-15H,4-7H2,1-3H3,(H2,24,25,26,27);7-8,11H,3-6H2,1-2H3,(H,19,20,21);2-4H,6H2,1H3.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 903.52 g/mol, XLogP of 9.98, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 161288578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).